N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H31N3S — CID 107154671

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN(C)C1(CNC2=NCC(CC(C)(C)C)S2)CCCC1
InChIInChI=1S/C16H31N3S/c1-15(2,3)10-13-11-17-14(20-13)18-12-16(19(4)5)8-6-7-9-16/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyDJJDRPSJYHRUKZ-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.36
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154671) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154671
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN(C)C1(CNC2=NCC(CC(C)(C)C)S2)CCCC1
InChIInChI=1S/C16H31N3S/c1-15(2,3)10-13-11-17-14(20-13)18-12-16(19(4)5)8-6-7-9-16/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyDJJDRPSJYHRUKZ-UHFFFAOYSA-N
XLogP3.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154854
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105419351
N-[(1-cyclopropylcyclopropyl)methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114096572
5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154544
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153785
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105419370
5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154426
3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea
CID 107154673
N-[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 107153856
5-(2,2-dimethylpropyl)-N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153956

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154671) is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CN(C)C1(CNC2=NCC(CC(C)(C)C)S2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DJJDRPSJYHRUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-15(2,3)10-13-11-17-14(20-13)18-12-16(19(4)5)8-6-7-9-16/h13H,6-12H2,1-5H3,(H,17,18).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).